Geometry & MOs

Info

ID:	247953
PubChem CID:	103077735
Reduced:	BrClFN2O2S2C12H17 (1)
Stoich.:	ABCD2E2F2G12H17 (1)
Weight, g/mol:	401.9452
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	5.1
IP(EA), eV:	-8.47(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylmorpholin-3-yl]methanol

Drug info:

PubChemData

Smile

CC(CCSC)N(C)S(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl

DOS

IR

Vibrations